NDLI: Solid–solvent molecular interactions observed in crystal structures of β-chitin complexes

Content Provider	Springer Nature Link
Author	Sawada, Daisuke Ogawa, Yu Kimura, Satoshi Nishiyama, Yoshiharu Langan, Paul Wada, Masahisa
Copyright Year	2013
Abstract	Three β-chitin structures [anhydrous, di-hydrate, mono-ethylenediamine (EDA)] recently determined by synchrotron X-ray and neutron fiber diffraction were reviewed from the viewpoint of molecular interactions. Both water and EDA molecules interact with the chitin chains through multiple hydrogen bonds. When water complexes with chitin, the hydrogen bonding pattern rearranges with the replacement of an intrachain chitin hydrogen bond by a stronger hydrogen bond between chitin and water, with an associated reduction in the degrees of freedom; the water oxygen is a much stronger acceptor than the O5 ring atom. The behavior of hydrogen exchange by deuterium supports this interpretation. EDA-molecules change the conformation of hydroxymethyl group from gg to gt, accompanied by changes in hydrogen bonds due to the strong accepting ability of the EDA nitrogen atoms. Some important interactions are in common with experimental crystallographic results of cellulosic crystals and of molecular dynamics studies. These new insights into solid–solvent interactions are valuable in understanding molecular interactions in other polysaccharides-solvents system in solution or on surface.
Starting Page	1007
Ending Page	1014
Page Count	8
File Format	PDF
ISSN	09690239
Journal	Cellulose
Volume Number	21
Issue Number	2
e-ISSN	1572882X
Language	English
Publisher	Springer Netherlands
Publisher Date	2013-10-15
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Structure analysis β-chitin Crystallosolvates Molecular interaction Hydrogen bond Hydroxymethyl group Bioorganic Chemistry Physical Chemistry Organic Chemistry Polymer Sciences
Content Type	Text
Resource Type	Article
Subject	Polymers and Plastics

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